1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyl-1,3,4-oxathiazol-2-one

2.1.2 InChI

InChI=1S/C3H3NO2S/c1-2-4-7-3(5)6-2/h1H3

2.1.3 InChI Key

KKGFUGWQXUYMEX-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 17452-74-3

2. 5-methyl-2h-1,3,4-oxathiazol-2-one

3. 5-methyl-1,3,4-oxathiazole-2-one

4. Schembl3431323

5. Kkgfugwqxuymex-uhfffaoysa-n

6. 5-methyl-[1,3,4]oxathiazol-2-one

7. Da-17844

8. En300-124787

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃H₃NO₂S
Molecular Weight	117.13 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	64
Heavy Atom Count	7
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 17452-74-3